Moringa oleifera is a common vegetable in many countries since ancient times, possesses numerous phenolic compounds having a wide array of biological activities. It possesses anticancer activity that can be used to develop new drugs for treatment of various types of cancers. The current study was conducted to evaluate the composition of phenolic compounds and in vitro and in silico anticancer activities of M. oleifera leaves extracts. The leaves of M. oleifera were subjected to extraction for solvent fraction using n-hexane, chloroform, ethyl acetate, butanol, and aqueous solvents. The solvent fractions were tested for anticancer activity in vitro against Hela cancer cell line and screened for phenolic compounds through reversed-phase high-performance liquid chromatography. The molecular docking approach was employed to check binding conformations of phytochemicals against the target protein. The result revealed that all the solvent fractions possess in vitro anticancer activity against Hela cancer cell line. The n-hexane fraction showed a 50% reduction in Hela cancer cell viability at 416 μg mL−1 as compared to control. The extracts of solvent-fraction contained 10 phenolic compounds viz. quercetin, gallic acid, sinapic acid, vanillic acid, 4-hydroxy-3-methoxy benzoic acid, p-coumaric acid, m-coumaric acid, 4-hydroxy-3-methoxy cinnamic acid, caffeic acid, and syringic acid. Molecular docking studies revealed that the ligands bind within the active site of target protein have good binding energy values. This study shows that M. oleifera leaves may have the potential to inhibit cancer cell growth and improving human health in addition to food ingredient innovations. Based on in vitro and in silico results, the phytochemicals from M. oleifera leaves can be used as leading drugs to treat cancer.

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辣木叶片中酚类化合物的抗癌活性：体外和计算机机制研究

辣木自古以来就是许多国家的常见蔬菜，拥有许多具有广泛生物活性的酚类化合物。它具有抗癌活性，可用于开发用于治疗各种类型癌症的新药。进行当前的研究以评价酚类化合物的组成以及油茶叶提取物的体外和计算机模拟抗癌活性。使用正己烷，氯仿，乙酸乙酯，丁醇和水性溶剂，对油蒿的叶子进行萃取，以分离出溶剂。测试了溶剂级分的体外抗Hela癌细胞系的抗癌活性，并通过反相高效液相色谱法筛选了酚类化合物。分子对接方法用于检查植物化学物质与靶蛋白的结合构象。结果表明，所有溶剂组分均具有针对Hela癌细胞系的体外抗癌活性。与对照组相比，在416μgmL-1处，正己烷馏分显示Hela癌细胞活力降低了50％。溶剂馏分的提取物包含10种酚类化合物。槲皮素，没食子酸，芥子酸，香草酸，4-羟基-3-甲氧基苯甲酸，对香豆酸，间香豆酸，4-羟基-3-甲氧基肉桂酸，咖啡酸和丁香酸。分子对接研究表明，结合在靶蛋白活性位点内的配体具有良好的结合能值。这项研究表明M. 除食品成分创新外，油茶叶还可能具有抑制癌细胞生长和改善人体健康的潜力。根据体外和计算机分析结果，来自油分枝树叶的植物化学物质可以用作治疗癌症的主要药物。